2-(prop-2-enylamino)propanoic acid

C6H11NO2 — CID 13326683

IUPAC2-(prop-2-enylamino)propanoic acid
SMILESC=CCNC(C)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-7-5(2)6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)
InChIKeyASVUOKGTAIPUBY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds4

About 2-(prop-2-enylamino)propanoic acid

2-(prop-2-enylamino)propanoic acid (PubChem CID 13326683) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name2-(prop-2-enylamino)propanoic acid
PubChem CID13326683
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(prop-2-enylamino)propanoic acid
SMILESC=CCNC(C)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-7-5(2)6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)
InChIKeyASVUOKGTAIPUBY-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
N-acryloyl-L-alanine
CID 10419296
n-Acryloylalanine
CID 240000
Allyl cysteine
CID 53650916
N-ethylalanine
CID 12003149
5-Allyl cystein
CID 23437571
2-[(Propan-2-yl)amino]propanoic acid
CID 13250769
2-(Ethylamino)propanoic acid
CID 12003148
Isopropylalanin
CID 13250770
N-(2-propenyl)alanine
CID 45086547
N-But-2-en-1-ylglycine
CID 53407996

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)propanoic acid?
The IUPAC name of 2-(prop-2-enylamino)propanoic acid (CID 13326683) is 2-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for 2-(prop-2-enylamino)propanoic acid?
The canonical SMILES for 2-(prop-2-enylamino)propanoic acid is C=CCNC(C)C(=O)O.
What is the InChIKey of 2-(prop-2-enylamino)propanoic acid?
The InChIKey is ASVUOKGTAIPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-7-5(2)6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9).
What are the key properties of 2-(prop-2-enylamino)propanoic acid?
2-(prop-2-enylamino)propanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 13326683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).